1-[2-(1-ethylpyrazol-4-yl)oxyphenyl]ethanol

C13H16N2O2 — CID 116801944

IUPAC1-[2-(1-ethylpyrazol-4-yl)oxyphenyl]ethanol
SMILESCCn1cc(Oc2ccccc2C(C)O)cn1
InChIInChI=1S/C13H16N2O2/c1-3-15-9-11(8-14-15)17-13-7-5-4-6-12(13)10(2)16/h4-10,16H,3H2,1-2H3
InChIKeyQPXLCECQJQGSOZ-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.75
Rot. Bonds4

About 1-[2-(1-ethylpyrazol-4-yl)oxyphenyl]ethanol

1-[2-(1-ethylpyrazol-4-yl)oxyphenyl]ethanol (PubChem CID 116801944) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-[2-(1-ethylpyrazol-4-yl)oxyphenyl]ethanol.

Molecular Properties

Compound Name1-[2-(1-ethylpyrazol-4-yl)oxyphenyl]ethanol
PubChem CID116801944
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-[2-(1-ethylpyrazol-4-yl)oxyphenyl]ethanol
SMILESCCn1cc(Oc2ccccc2C(C)O)cn1
InChIInChI=1S/C13H16N2O2/c1-3-15-9-11(8-14-15)17-13-7-5-4-6-12(13)10(2)16/h4-10,16H,3H2,1-2H3
InChIKeyQPXLCECQJQGSOZ-UHFFFAOYSA-N
XLogP2.75
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol
CID 116802017
1-[2-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-one
CID 116801587
4-[2-(chloromethyl)phenoxy]-1-ethylpyrazole
CID 116802044
1-[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]ethanol
CID 116801948
1-[5-bromo-2-(1-propylpyrazol-4-yl)oxyphenyl]ethanol
CID 116801996
(1S)-1-[4-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-ol
CID 114066991
N-[1-[2-(1-ethylpyrazol-4-yl)oxy-6-fluorophenyl]ethyl]propan-1-amine
CID 116801654
2-(1-ethylpyrazol-4-yl)oxy-6-methylsulfanylbenzenecarbothioamide
CID 116801312
1-[2-(1-propylpyrazol-4-yl)oxyphenyl]propan-1-one
CID 116801605
1-[2-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]propan-2-amine
CID 116804168
N-[1-[2-(1-methylpyrazol-4-yl)oxyphenyl]ethyl]propan-1-amine
CID 116792890
2-bromo-6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide
CID 114883564

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethylpyrazol-4-yl)oxyphenyl]ethanol?
The IUPAC name of 1-[2-(1-ethylpyrazol-4-yl)oxyphenyl]ethanol (CID 116801944) is 1-[2-(1-ethylpyrazol-4-yl)oxyphenyl]ethanol.
What is the SMILES notation for 1-[2-(1-ethylpyrazol-4-yl)oxyphenyl]ethanol?
The canonical SMILES for 1-[2-(1-ethylpyrazol-4-yl)oxyphenyl]ethanol is CCn1cc(Oc2ccccc2C(C)O)cn1.
What is the InChIKey of 1-[2-(1-ethylpyrazol-4-yl)oxyphenyl]ethanol?
The InChIKey is QPXLCECQJQGSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-15-9-11(8-14-15)17-13-7-5-4-6-12(13)10(2)16/h4-10,16H,3H2,1-2H3.
What are the key properties of 1-[2-(1-ethylpyrazol-4-yl)oxyphenyl]ethanol?
1-[2-(1-ethylpyrazol-4-yl)oxyphenyl]ethanol has a molecular weight of 232.28 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethylpyrazol-4-yl)oxyphenyl]ethanol is sourced from PubChem (CID 116801944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).